(2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide

C12H19N3O2S — CID 74243450

IUPAC(2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide
SMILESCc1ncsc1CCC(=O)N[C@@H](C(N)=O)C(C)C
InChIInChI=1S/C12H19N3O2S/c1-7(2)11(12(13)17)15-10(16)5-4-9-8(3)14-6-18-9/h6-7,11H,4-5H2,1-3H3,(H2,13,17)(H,15,16)/t11-/m1/s1
InChIKeyUVKLBRRZTQFXDA-LLVKDONJSA-N
MW269.37 g/mol
LogP1.01
Rot. Bonds6

About (2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide

(2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide (PubChem CID 74243450) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide
PubChem CID74243450
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide
SMILESCc1ncsc1CCC(=O)N[C@@H](C(N)=O)C(C)C
InChIInChI=1S/C12H19N3O2S/c1-7(2)11(12(13)17)15-10(16)5-4-9-8(3)14-6-18-9/h6-7,11H,4-5H2,1-3H3,(H2,13,17)(H,15,16)/t11-/m1/s1
InChIKeyUVKLBRRZTQFXDA-LLVKDONJSA-N
XLogP1.01
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 103699284
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70740526
N-[1-(2-methylpyrazol-3-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70730398
2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid
CID 72887014
(2S)-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]butanoic acid
CID 122069093
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581
3-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]butanoic acid
CID 55260194
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 91793745
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480431
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 82012439
3-methyl-2-(propanoylamino)butanamide
CID 22574980

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide?
The IUPAC name of (2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide (CID 74243450) is (2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide.
What is the SMILES notation for (2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide?
The canonical SMILES for (2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide is Cc1ncsc1CCC(=O)N[C@@H](C(N)=O)C(C)C.
What is the InChIKey of (2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide?
The InChIKey is UVKLBRRZTQFXDA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(2)11(12(13)17)15-10(16)5-4-9-8(3)14-6-18-9/h6-7,11H,4-5H2,1-3H3,(H2,13,17)(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide?
(2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide has a molecular weight of 269.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide is sourced from PubChem (CID 74243450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).